SCHEMBL9871019

SCHEMBL9871019

Cc1cc(=O)c(NCCN)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
NPY5R Q15761 16/20 0.50
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9870858 0.83 POLB (0.65) POLBNPY5RKMT2A
SCHEMBL21904916 0.81 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9592489 0.78 POLB (0.67) POLBNPY5RKMT2A
SCHEMBL9593912 0.78 POLB (0.57) POLBNPY5RKMT2AALDH1A1
SCHEMBL9870638 0.77 POLB (0.56) POLBNPY5RKMT2AALDH1A1
SCHEMBL9594529 0.76 POLB (0.67) POLBNPY5RKMT2A
SCHEMBL9525617 0.76 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9871568 0.75 POLB (0.60) POLBNPY5RKMT2A
SCHEMBL9879206 0.74 POLB (0.80) POLBNPY5RKMT2A
SCHEMBL9869664 0.74 POLB (0.65) POLBNPY5RKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US disclosed